[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone

C21H17F2N5O2S — CID 168934042

IUPAC[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ncsc32)cnn1C
InChIInChI=1S/C21H17F2N5O2S/c1-11-14(7-25-27(11)2)15-8-28(9-18-20(15)31-10-24-18)21(29)17-6-19(30-26-17)13-4-3-12(22)5-16(13)23/h3-7,10,15H,8-9H2,1-2H3
InChIKeyHDLIHUPNDWKCIC-UHFFFAOYSA-N
MW441.46 g/mol
LogP3.91
Rot. Bonds3

About [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 168934042) has the molecular formula C21H17F2N5O2S and a molecular weight of 441.46 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID168934042
Molecular FormulaC21H17F2N5O2S
Molecular Weight441.46 g/mol
Exact Mass441.11
IUPAC Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone
SMILESCc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ncsc32)cnn1C
InChIInChI=1S/C21H17F2N5O2S/c1-11-14(7-25-27(11)2)15-8-28(9-18-20(15)31-10-24-18)21(29)17-6-19(30-26-17)13-4-3-12(22)5-16(13)23/h3-7,10,15H,8-9H2,1-2H3
InChIKeyHDLIHUPNDWKCIC-UHFFFAOYSA-N
XLogP3.91
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone (CID 168934042) is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone is Cc1c(C2CN(C(=O)c3cc(-c4ccc(F)cc4F)on3)Cc3ncsc32)cnn1C.
What is the InChIKey of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HDLIHUPNDWKCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2S/c1-11-14(7-25-27(11)2)15-8-28(9-18-20(15)31-10-24-18)21(29)17-6-19(30-26-17)13-4-3-12(22)5-16(13)23/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone?
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 441.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]-[7-(1,5-dimethylpyrazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 168934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).